1-phenyl-3-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]thiourea

Systemtic Name: 1-phenyl-3-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]thiourea Openeye Name: 1-phenyl-3-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]thiourea CAS Name: 1-phenyl-3-[4-[(1-phenyl-5-tetrazolyl)methylthio]phenyl]thiourea IUPAC Name: 1-phenyl-3-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]thiourea Traditional Name: 1-phenyl-3-[4-[(1-phenyltetrazol-5-yl)methylthio]phenyl]thiourea Formula: C21H18N6S2 MolecularWeight: 418.53782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6S2/c28-21(22-16-7-3-1-4-8-16)23-17-11-13-19(14-12-17)29-15-20-24-25-26-27(20)18-9-5-2-6-10-18/h1-14H,15H2,(H2,22,23,28)