1H-benzimidazol-2-yl-[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methanethiol Openeye Name: [4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-(1H-benzimidazol-2-yl)methanethiol CAS Name: 1H-benzimidazol-2-yl-[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methanethiol Traditional Name: [4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-(1H-benzimidazol-2-yl)methanethiol Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)C(C3=NC4=CC=CC=C4N3)S

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC=C)C(C3=NC4=CC=CC=C4N3)S

InChI

InChI=1S/C20H19N5OS/c1-3-11-25-19(13-7-6-8-14(12-13)26-2)23-24-20(25)17(27)18-21-15-9-4-5-10-16(15)22-18/h3-10,12,17,27H,1,11H2,2H3,(H,21,22)