4-azanyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Openeye Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-4-amino-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-5-carbonitrile Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-4-amino-pyrimidine-5-carbonitrile Formula: C14H11N7S2 MolecularWeight: 341.41404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SC2=NC=C(C(=N2)N)C#N)C3=CC=CS3

InChI

InChI=1S/C14H11N7S2/c1-2-5-21-12(10-4-3-6-22-10)19-20-14(21)23-13-17-8-9(7-15)11(16)18-13/h2-4,6,8H,1,5H2,(H2,16,17,18)