1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-3-pyrrolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]pyrrol-3-yl]methyleneamino]-3-ethyl-thiourea Formula: C22H23N5O2S2 MolecularWeight: 453.58032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O2S2/c1-4-23-22(30)25-24-14-17-13-15(2)26(16(17)3)18-5-9-20(10-6-18)31-21-11-7-19(8-12-21)27(28)29/h5-14H,4H2,1-3H3,(H2,23,25,30)